3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline

C15H15F2N — CID 43193860

IUPAC3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline
SMILESCc1ccccc1C(C)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2N/c1-10-5-3-4-6-13(10)11(2)18-12-7-8-14(16)15(17)9-12/h3-9,11,18H,1-2H3
InChIKeyHUQISHWSVFOMBP-UHFFFAOYSA-N
MW247.29 g/mol
LogP4.45
Rot. Bonds3

About 3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline

3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline (PubChem CID 43193860) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline
PubChem CID43193860
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline
SMILESCc1ccccc1C(C)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2N/c1-10-5-3-4-6-13(10)11(2)18-12-7-8-14(16)15(17)9-12/h3-9,11,18H,1-2H3
InChIKeyHUQISHWSVFOMBP-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43101633
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43193828
N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
CID 43194139
N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline
CID 43099518
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652647
2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide
CID 43101041
5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione
CID 43197044
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43347988
3-fluoro-5-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 102815738
N-[3-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43193741

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline?
The IUPAC name of 3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline (CID 43193860) is 3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline.
What is the SMILES notation for 3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline?
The canonical SMILES for 3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline is Cc1ccccc1C(C)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline?
The InChIKey is HUQISHWSVFOMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-10-5-3-4-6-13(10)11(2)18-12-7-8-14(16)15(17)9-12/h3-9,11,18H,1-2H3.
What are the key properties of 3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline?
3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline has a molecular weight of 247.29 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline is sourced from PubChem (CID 43193860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).